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	hartrees
Energy at 0K	-214.857087
Energy at 298.15K
HF Energy	-214.667175
Nuclear repulsion energy	79.132778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3818	3818	24.27	72.49	0.32	0.48
2	A	3180	3180	45.55	68.48	0.48	0.65
3	A	3071	3071	77.57	98.33	0.16	0.27
4	A	1564	1564	3.12	7.65	0.74	0.85
5	A	1494	1494	50.44	6.77	0.75	0.86
6	A	1430	1430	17.31	6.28	0.74	0.85
7	A	1293	1293	9.52	7.36	0.73	0.84
8	A	1159	1159	150.54	3.38	0.26	0.42
9	A	1098	1098	94.42	1.72	0.53	0.69
10	A	1021	1021	155.43	3.39	0.51	0.67
11	A	558	558	57.40	2.03	0.62	0.76
12	A	420	420	126.89	4.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.510	0.049
F2	1.134	-0.309	-0.028
O3	-1.145	-0.213	-0.116
H4	0.070	1.009	1.021
H5	0.062	1.221	-0.772
H6	-1.258	-0.802	0.636

	C1	F2	O3	H4	H5	H6
C1		1.3897	1.3760	1.0937	1.0872	1.9195
F2	1.3897		2.2824	1.9918	2.0110	2.5304
O3	1.3760	2.2824		2.0643	1.9864	0.9619
H4	1.0937	1.9918	2.0643		1.8055	2.2783
H5	1.0872	2.0110	1.9864	1.8055		2.7965
H6	1.9195	2.5304	0.9619	2.2783	2.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.099	F2	C1	O3	111.228
F2	C1	H4	106.037	F2	C1	H5	107.942
O3	C1	H4	112.907	O3	C1	H5	106.916
H4	C1	H5	111.762

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)